DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:05 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185507
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₇N₅O₄
Molecular Mass	343.1281
SMILES	Nc1nc2cnn(C3OC(CO)C(O)C3O)c2nc1-c1ccccc1
InChI Key	DGBGVCKJBNVKDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrazolo[3,4-b]pyrazines
Subclass	pyrazolo[3,4-b]pyrazines
Direct Parent	pyrazolo[3,4-b]pyrazines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazines pyrazoles secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety monosaccharide pyrazolo[3,4-b]pyrazine pyrazole saccharide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam azole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound pyrazine secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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